N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

C21H26N4O4 — CID 109096866

IUPACN-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)n2)CC1
InChIInChI=1S/C21H26N4O4/c1-4-24-10-12-25(13-11-24)21(27)17-7-5-6-16(23-17)20(26)22-15-8-9-18(28-2)19(14-15)29-3/h5-9,14H,4,10-13H2,1-3H3,(H,22,26)
InChIKeyOFQFUKVCYWKVKX-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.13
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109096866) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109096866
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)n2)CC1
InChIInChI=1S/C21H26N4O4/c1-4-24-10-12-25(13-11-24)21(27)17-7-5-6-16(23-17)20(26)22-15-8-9-18(28-2)19(14-15)29-3/h5-9,14H,4,10-13H2,1-3H3,(H,22,26)
InChIKeyOFQFUKVCYWKVKX-UHFFFAOYSA-N
XLogP2.13
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865
[6-(3,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367398
6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109096862
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
6-N-(3,4-dimethoxyphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094513
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109099186
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109096866) is N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is CCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)n2)CC1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is OFQFUKVCYWKVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-4-24-10-12-25(13-11-24)21(27)17-7-5-6-16(23-17)20(26)22-15-8-9-18(28-2)19(14-15)29-3/h5-9,14H,4,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).